2-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxidanylidene-propyl]sulfanylethanesulfonic acid

Systemtic Name: 2-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxidanylidene-propyl]sulfanylethanesulfonic acid Openeye Name: 2-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxo-propyl]sulfanylethanesulfonic acid CAS Name: 2-[[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]thio]ethanesulfonic acid IUPAC Name: 2-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]sulfanylethanesulfonic acid Traditional Name: 2-[[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-keto-propyl]thio]ethanesulfonic acid Formula: C15H22N2O6S2 MolecularWeight: 390.47498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCS(=O)(=O)O)C(=O)NCCC1=CC=C(C=C1)O

Isomeric SMILES

CC(=O)NC(CSCCS(=O)(=O)O)C(=O)NCCC1=CC=C(C=C1)O

InChI

InChI=1S/C15H22N2O6S2/c1-11(18)17-14(10-24-8-9-25(21,22)23)15(20)16-7-6-12-2-4-13(19)5-3-12/h2-5,14,19H,6-10H2,1H3,(H,16,20)(H,17,18)(H,21,22,23)